SCHEMBL3362709

SCHEMBL3362709

CNc1ncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.45
AURKA O14965 3/20 0.43
PIK3CA P42336 2/20 0.43
ZAP70 P43403 1/20 0.43
IGF1R P08069 1/20 0.42
CD63 P08962 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
BTK Q06187 2/20 0.41
PKMYT1 Q99640 4/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
TNK2 Q07912 1/20 0.41
BRD4 O60885 1/20 0.41
SLC2A1 P11166 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3359805 0.91 ZAP70 (0.42) SYKAURKAPIK3CAZAP70CD63
SCHEMBL3362714 0.90 ABL1 (0.45) SYKAURKAPIK3CAZAP70CD63
SCHEMBL3361347 0.90 ZAP70 (0.42) SYKAURKAZAP70IGF1RCD63
SCHEMBL3358764 0.85 SYK (0.42) SYKAURKAPIK3CAZAP70CD63
SCHEMBL3362308 0.85 JAK2 (0.46) SYKAURKAZAP70CD63MAPT
SCHEMBL3360215 0.83 PTK2 (0.39) SYKPIK3CAZAP70
SCHEMBL3358985 0.83 ZAP70 (0.43) AURKAZAP70IGF1RTP53MAPT
SCHEMBL3358758 0.82 SYK (0.44) SYKAURKAZAP70IGF1RCD63
SCHEMBL3358248 0.82 ZAP70 (0.44) SYKZAP70TP53MAPTMAPK1
SCHEMBL3359647 0.82 MAPT (0.43) SYKAURKAZAP70IGF1RCD63

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed